#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/71/1007149.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1007149
loop_
_publ_author_name
'Masse, R'
'Durif, A'
_publ_section_title
;
Etude structurale de la forme haute temperature du monophosphate de
bismuth Bi P O₄
;
_journal_coden_ASTM              CRAMED
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_page_first              849
_journal_page_last               851
_journal_volume                  300
_journal_year                    1985
_chemical_formula_structural     'Bi P O4'
_chemical_formula_sum            'Bi O4 P'
_chemical_name_systematic        'Bismut phosphate - high-temperature phase'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.24(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.871(3)
_cell_length_b                   7.073(3)
_cell_length_c                   4.709(3)
_cell_volume                     161.3
_refine_ls_R_factor_all          0.037
_cod_database_code               1007149
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
-x,-y,-z
x,1/2-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi3+ 2 e 0.14343(9) 0.25 0.16750(9) 1. 0 d
P1 P5+ 2 e 0.3736(6) 0.75 0.3042(6) 1. 0 d
O1 O2- 2 e 0.678(2) 0.75 0.230(2) 1. 0 d
O2 O2- 2 e 0.599(2) 0.25 0.368(2) 1. 0 d
O3 O2- 4 f 0.208(1) 0.579(1) 0.174(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
P5+ 5.000
O2- -2.000
